(phenylmethyl) 2-ethanoylsulfanyl-4-(4-phenylphenyl)butanoate

Systemtic Name: (phenylmethyl) 2-ethanoylsulfanyl-4-(4-phenylphenyl)butanoate Openeye Name: benzyl 2-acetylsulfanyl-4-(4-phenylphenyl)butanoate CAS Name: 2-(acetylthio)-4-(4-phenylphenyl)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-acetylsulfanyl-4-(4-phenylphenyl)butanoate Traditional Name: 2-(acetylthio)-4-(4-phenylphenyl)butyric acid benzyl ester Formula: C25H24O3S MolecularWeight: 404.52126

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CCC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)SC(CCC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H24O3S/c1-19(26)29-24(25(27)28-18-21-8-4-2-5-9-21)17-14-20-12-15-23(16-13-20)22-10-6-3-7-11-22/h2-13,15-16,24H,14,17-18H2,1H3